5-Hydroxy-2-(1-Methyl-1H-Imidazol-4-Yl)-6-Oxo-1,6-Dihydro-4-Pyrimidinecarboxylic Acid

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Properties Simple | Detailed

Formula C9H8N4O4
IUPAC Name 5-hydroxy-2-(3-methyl-4h-imidazol-1-ium-4-id-5-yl)-6-oxo-1h-pyrimidin-3-ium-5-ide-4-carboxylic acid
Molecular Mass 236.184 g·mol−1
Heat of Formation -423.5 ± 16.7 kJ·mol−1
Dipole Moment 8.64 ± 1.08 D
Volume 249.81 Å 3
Surface Area 242.74 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
InChIKey OIINGOWTGWVZNY-UHFFFAOYSA-O
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